Molecule
ID:120320
General Information
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-20-14(18)13(11-12-5-3-2-4-6-12)16-15(19)17-7-9-21-10-8-17/h2-6,13H,7-11H2,1H3,(H,16,19)/t13-/m0/s1
InChIKey
QWOZSUJMZCZYQN-ZDUSSCGKSA-N
Canonic Smiles
COC(=O)[C@@H](NC(=O)N1CCOCC1)Cc1ccccc1
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)Cc1ccccc1)N1CCOCC1
Calculated Properties
JChem
Acid pKa
14.3103285
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9376618
LogD (pH = 7.4)
0.9376618
Log P
0.9376619
Molar Refractivity
76.8738
Polarizability
30.01239
Polar Surface Area
67.87
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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